(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C17H22F3NO2 — CID 147148297

IUPAC(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESO[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)14-3-1-2-12(10-14)13-4-5-16(22)15(11-13)21-6-8-23-9-7-21/h1-3,10,13,15-16,22H,4-9,11H2/t13-,15-,16-/m0/s1
InChIKeyBTMMSXKIJNCYQP-BPUTZDHNSA-N
MW329.36 g/mol
LogP3.03
Rot. Bonds2

About (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 147148297) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID147148297
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESO[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)14-3-1-2-12(10-14)13-4-5-16(22)15(11-13)21-6-8-23-9-7-21/h1-3,10,13,15-16,22H,4-9,11H2/t13-,15-,16-/m0/s1
InChIKeyBTMMSXKIJNCYQP-BPUTZDHNSA-N
XLogP3.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 147148297) is (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is BTMMSXKIJNCYQP-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)14-3-1-2-12(10-14)13-4-5-16(22)15(11-13)21-6-8-23-9-7-21/h1-3,10,13,15-16,22H,4-9,11H2/t13-,15-,16-/m0/s1.
What are the key properties of (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
(1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 329.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-morpholin-4-yl-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 147148297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).